methylsulfonyloxyboronic acid

CH5BO5S — CID 141334223

IUPACmethylsulfonyloxyboronic acid
SMILESCS(=O)(=O)OB(O)O
InChIInChI=1S/CH5BO5S/c1-8(5,6)7-2(3)4/h3-4H,1H3
InChIKeyWNSRFTMQARBTGM-UHFFFAOYSA-N
MW139.92 g/mol
LogP-2.07
Rot. Bonds2

About methylsulfonyloxyboronic acid

methylsulfonyloxyboronic acid (PubChem CID 141334223) has the molecular formula CH5BO5S and a molecular weight of 139.92 g/mol. Its IUPAC name is methylsulfonyloxyboronic acid.

Molecular Properties

Compound Namemethylsulfonyloxyboronic acid
PubChem CID141334223
Molecular FormulaCH5BO5S
Molecular Weight139.92 g/mol
Exact Mass140.00
IUPAC Namemethylsulfonyloxyboronic acid
SMILESCS(=O)(=O)OB(O)O
InChIInChI=1S/CH5BO5S/c1-8(5,6)7-2(3)4/h3-4H,1H3
InChIKeyWNSRFTMQARBTGM-UHFFFAOYSA-N
XLogP-2.07
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.92
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyloxyboronic acid?
The IUPAC name of methylsulfonyloxyboronic acid (CID 141334223) is methylsulfonyloxyboronic acid.
What is the SMILES notation for methylsulfonyloxyboronic acid?
The canonical SMILES for methylsulfonyloxyboronic acid is CS(=O)(=O)OB(O)O.
What is the InChIKey of methylsulfonyloxyboronic acid?
The InChIKey is WNSRFTMQARBTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5BO5S/c1-8(5,6)7-2(3)4/h3-4H,1H3.
What are the key properties of methylsulfonyloxyboronic acid?
methylsulfonyloxyboronic acid has a molecular weight of 139.92 g/mol, XLogP of -2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyloxyboronic acid is sourced from PubChem (CID 141334223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).